%nprocshared=24
%mem=90GB
#p b3lyp scf=xqc nosymm genecp EmpiricalDispersion=GD3 scrf=(smd,solvent=acetonitrile) integral(ultrafine)

int2

0 2
 C	 2.380038000	 2.389200000	 0.637686000
 C	 2.887029000	 3.685790000	 0.568426000
 C	 2.013766000	 4.733318000	 0.269537000
 C	 0.663509000	 4.454136000	 0.053876000
 C	 0.230508000	 3.135130000	 0.147773000
 N	 1.081614000	 2.131624000	 0.431376000
 H	 2.380109000	 5.753598000	 0.204637000
 H	 3.001900000	 1.528548000	 0.855093000
 H	 3.943154000	 3.862131000	 0.742676000
 H	-0.057851000	 5.226933000	-0.185186000
 C	-1.215044000	 2.752255000	-0.077449000
 O	-2.032080000	 3.619947000	-0.421632000
 N	-1.446769000	 1.441404000	 0.153967000
 C	-2.733502000	 0.921615000	-0.127968000
 C	-3.530729000	 0.416574000	 0.911569000
 C	-3.192938000	 0.809371000	-1.451837000
 C	-4.753998000	-0.201411000	 0.632904000
 H	-3.176796000	 0.506585000	 1.936033000
 C	-4.417472000	 0.200122000	-1.725918000
 H	-2.572003000	 1.191923000	-2.257064000
 C	-5.201398000	-0.313761000	-0.685929000
 H	-5.355348000	-0.593872000	 1.448909000
 H	-4.756583000	 0.116153000	-2.755422000
 H	-6.149947000	-0.797170000	-0.903363000
 Cu	 0.168781000	 0.298650000	 0.420928000
 C	 3.723552000	-1.662552000	-0.574824000
 C	 2.378822000	-0.903036000	-0.593688000
 C	 3.511484000	-3.005041000	 0.154614000
 H	 2.756612000	-3.617060000	-0.355163000
 H	 4.447875000	-3.576702000	 0.178745000
 H	 3.180403000	-2.844193000	 1.185200000
 C	 4.757179000	-0.813311000	 0.192189000
 H	 5.724286000	-1.330751000	 0.226299000
 H	 4.911278000	 0.157205000	-0.296104000
 H	 4.429050000	-0.630477000	 1.220303000
 C	 4.211585000	-1.916438000	-2.007071000
 H	 3.486698000	-2.512810000	-2.571156000
 H	 4.359534000	-0.975201000	-2.547180000
 H	 5.165372000	-2.458418000	-1.991055000
 O	 1.889283000	-0.638606000	 0.578794000
 O	 1.824338000	-0.588974000	-1.661208000
 C	-1.771851000	-3.445850000	-0.615014000
 C	-1.174670000	-3.682064000	 1.647092000
 C	-0.351495000	-2.396732000	 1.612069000
 C	-0.975313000	-2.150684000	-0.739407000
 H	-0.380857000	-1.886145000	 2.579571000
 H	 0.688899000	-2.609932000	 1.361817000
 H	-2.202681000	-3.460761000	 1.982461000
 H	-0.730633000	-4.400039000	 2.343641000
 H	-1.762112000	-3.992329000	-1.563119000
 H	-2.819391000	-3.213855000	-0.356390000
 H	 0.040737000	-2.348360000	-1.086913000
 H	-1.455915000	-1.464279000	-1.441912000
 N	-0.873234000	-1.467771000	 0.577606000
 O	-1.202707000	-4.310302000	 0.366892000
 H	-1.822692000	-1.199757000	 0.852591000

-Cu -S -F -N -C -H -O 0
cc-pVTZ
****




